bioexcel / biobbLinks
Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools.
☆64Updated 3 weeks ago
Alternatives and similar repositories for biobb
Users that are interested in biobb are comparing it to the libraries listed below
Sorting:
- Analysis of non-covalent interactions in MD trajectories☆65Updated last year
- Fully automated high-throughput MD pipeline☆86Updated last week
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated 2 weeks ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆91Updated 6 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated 2 weeks ago
- Trusted force field files for gromacs☆66Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆57Updated this week
- Tool suite for analysing molecular dynamics trajectories using network analysis and PRS☆53Updated 7 months ago
- ☆67Updated 3 months ago
- A collections of scripts for working molecular dynamics simulations☆45Updated 5 months ago
- PyRod - Tracing water molecules in molecular dynamics simulations☆55Updated 2 months ago
- mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data☆37Updated this week
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated 2 years ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆67Updated 4 years ago
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Updated last year
- A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism☆65Updated last year
- Ligand-Protein Interaction Mapping☆70Updated 8 months ago
- ☆28Updated 8 months ago
- Molecular Dynamics for Experimentalists☆65Updated 2 months ago
- A python toolkit for analysing membrane protein-lipid interactions.☆68Updated 2 months ago
- AutoDock CrankPep for peptide and disordered protein docking☆55Updated 2 months ago
- Random Acceleration Molecular Dynamics in GROMACS☆42Updated last year
- Cloud-based Drug Binding Structure Prediction☆46Updated 2 months ago
- ☆101Updated 10 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated last week
- Open-source tool for synthons-based library design.☆85Updated last year